5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-[(2S)-butan-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-[(2S)-butan-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylene]-1-[(1S)-1-methylpropyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-[(2S)-butan-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-[(2S)-butan-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-[(1S)-1-methylpropyl]-5-[(piperonylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C(=O)NC1=S

Isomeric SMILES

CC[C@H](C)N1C(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C(=O)NC1=S

InChI

InChI=1S/C17H19N3O4S/c1-3-10(2)20-16(22)12(15(21)19-17(20)25)8-18-7-11-4-5-13-14(6-11)24-9-23-13/h4-6,8,10,18H,3,7,9H2,1-2H3,(H,19,21,25)/t10-/m0/s1